SCHEMBL19962117

SCHEMBL19962117

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.46
CTSK P43235 7/20 0.46
ACE P12821 1/20 0.41
CTSB P07858 2/20 0.40
CTSL P07711 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
PTPN1 P18031 2/20 0.38
KLK5 Q9Y337 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19969271 0.90 CTSK (0.41) CTSSCTSKACEPTPN1SCN9A
SCHEMBL18317296 0.90 CTSS (0.46) CTSSCTSKACECTSBCTSL
SCHEMBL18180278 0.90 CTSS (0.47) CTSSCTSKACECTSBCTSL
SCHEMBL18180261 0.90 CTSS (0.46) CTSSCTSKACECTSBCTSL
SCHEMBL18179931 0.89 CTSS (0.53) CTSSCTSKACECTSBCTSL
SCHEMBL19969242 0.89 CTSS (0.53) CTSSCTSKACECTSBCTSL
SCHEMBL18317994 0.89 CTSS (0.46) CTSSCTSKACECTSBCTSL
SCHEMBL18181211 0.89 CTSS (0.48) CTSSCTSKACECTSBCTSL
SCHEMBL18181048 0.89 CTSS (0.46) CTSSCTSKACECTSBCTSL
SCHEMBL18180269 0.88 CTSS (0.47) CTSSCTSKACECTSBCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E CTSS 2266/4885CTSK 3289/4885ACE 122/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.